SCHEMBL3105229

SCHEMBL3105229

COC(=O)c1oc(-c2ccc(C(F)(F)F)cc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.42
AR P10275 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41
CYP2F1 P24903 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2C19 P33261 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2169674 0.81 ALDH1A1 (0.56) KDM4EMAPTCYP1A2CYP2C19SLC9A1
SCHEMBL3101093 0.81 CFTR (0.50) CFTRKDM4EMAPTARCYP1A1
SCHEMBL4943632 0.77 CYP1A2 (0.53) CFTRKDM4ECYP1A2CYP2C19FFAR1
SCHEMBL27930365 0.75 BACE1 (0.49) KDM4EMAPTARCYP1A1CYP1A2
SCHEMBL3105122 0.75 KDM4E (0.47) CFTRKDM4EMAPTARCYP1A1
SCHEMBL3095895 0.75 KDM4E (0.47) CFTRKDM4EMAPTARCYP1A1
SCHEMBL4467472 0.74 ALDH1A1 (0.69) KDM4EMAPTPTPN1ALDH1A1GAA
SCHEMBL5860698 0.74 KDM4E (0.46) CFTRKDM4EMAPTARCYP1A1
SCHEMBL3101610 0.74 KDM4E (0.46) CFTRKDM4EMAPTARCYP1A1
SCHEMBL6709258 0.74 FFAR1 (0.56) ARCYP1A1CYP1A2CYP2E1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
EP-2010289-B1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA NV (BE) 2011-11-30 EP disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
EP-2010289-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 EP disclosed
WO-2007121432-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
WO-2007121432-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 US disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA CFTR 1319/4885KDM4E 4792/4885MAPT 2521/4885
US-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR CFTR 801/4885KDM4E 2280/4885MAPT 4877/4885
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA CFTR 1319/4885KDM4E 4792/4885MAPT 2521/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.